Spectrum Details
MiMe ID:MMDBc0047264
Compound Name:PS(15:0/16:1(9Z))
Derivative IUPAC Name:(2S)-2-amino-3-({[(tert-butyldimethylsilyl)oxy][(2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-(pentadecanoyloxy)propoxy]phosphoryl}oxy)propanoic acid
Derivative SMILES:CCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)COP(=O)(OC[C@H](N)C(=O)O)O[Si](C)(C)C(C)(C)C
Derivative InChIKey:InChIKey=UGYKSNWMTWZYNE-QRHPXBKASA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TBDMS_1_2) - 70eV, Positive
Splash Key:Not Available
Notes:This is a predicted spectrum, and it should only be used as a guide. Further evidence is required to confirm identification.
Spectrum View
Experimental Conditions
Ionization Mode:Positive
Ionization Energy:70 eV
Chromatography Type:Gas Chromatography Column (GC)
Instrument Type:Single quadrupole, spectrum predicted by CFM-ID(EI)
Mass Resolution:0.0001 Da
Molecular Formula:C37H70NO10P
Molecular Weight (Monoisotopic Mass):719.4737 Da
Derivative Type:TBDMS_1_2
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)COP(=O)(OC[C@H](N)C(=O)O)O[Si](C)(C)C(C)(C)C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file758 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available